4-naphthalen-2-ylsulfinylbutanoic acid

C14H14O3S — CID 61302772

IUPAC4-naphthalen-2-ylsulfinylbutanoic acid
SMILESO=C(O)CCCS(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14O3S/c15-14(16)6-3-9-18(17)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10H,3,6,9H2,(H,15,16)
InChIKeyQGKNFDSIFORGDI-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.81
Rot. Bonds5

About 4-naphthalen-2-ylsulfinylbutanoic acid

4-naphthalen-2-ylsulfinylbutanoic acid (PubChem CID 61302772) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-naphthalen-2-ylsulfinylbutanoic acid.

Molecular Properties

Compound Name4-naphthalen-2-ylsulfinylbutanoic acid
PubChem CID61302772
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name4-naphthalen-2-ylsulfinylbutanoic acid
SMILESO=C(O)CCCS(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14O3S/c15-14(16)6-3-9-18(17)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10H,3,6,9H2,(H,15,16)
InChIKeyQGKNFDSIFORGDI-UHFFFAOYSA-N
XLogP2.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-naphthalen-2-ylsulfinylpropanoate
CID 61302771
4-(4-propan-2-ylphenyl)sulfinylbutanoic acid
CID 61302941
2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile
CID 65263190
5-(4-propan-2-ylphenyl)sulfinylpentanoic acid
CID 61302550
hydroxylamine;7-[(S)-(4-methoxyphenyl)sulfinyl]heptanoic acid
CID 70154736
4-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfinylbutanoic acid
CID 166398732
10-naphthalen-2-yldecanoic acid
CID 21478009
4-naphthalen-2-ylselanylbutanoic acid
CID 102279470
2-(2-naphthalen-2-ylsulfinylethyl)-1,3-dioxane
CID 66473976
molecular hydrogen;naphthalene-2-sulfinic acid;hydrate
CID 145100322
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
3-(naphthalen-2-ylsulfinylmethyl)thiophene-2-carboxylic acid
CID 63641124

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylsulfinylbutanoic acid?
The IUPAC name of 4-naphthalen-2-ylsulfinylbutanoic acid (CID 61302772) is 4-naphthalen-2-ylsulfinylbutanoic acid.
What is the SMILES notation for 4-naphthalen-2-ylsulfinylbutanoic acid?
The canonical SMILES for 4-naphthalen-2-ylsulfinylbutanoic acid is O=C(O)CCCS(=O)c1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-ylsulfinylbutanoic acid?
The InChIKey is QGKNFDSIFORGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c15-14(16)6-3-9-18(17)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10H,3,6,9H2,(H,15,16).
What are the key properties of 4-naphthalen-2-ylsulfinylbutanoic acid?
4-naphthalen-2-ylsulfinylbutanoic acid has a molecular weight of 262.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylsulfinylbutanoic acid is sourced from PubChem (CID 61302772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).